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Psychedelic compounds can induce rapid-acting and long-lasting antidepressant benefits. Understanding the role of their hallucinatory effects is crucial for shaping the future trajectory of antidepressant drug development. Photoswitchable compounds targeting the 5-HTR offer precise spatio-temporal control over the activation of different downstream pathways. In this work, we computationally discovered PQ-azo-,-DMT (34), a photoswitch with improved features compared to the previously synthesized azo-,-DMT (1). The new compound shows tight binding to the 5-HTR, retaining all important interactions of lysergic acid diethylamide (LSD), exhibits positive membrane permeability, and has a strong red-shifted absorption that would allow photocontrol in the visible spectrum.
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http://dx.doi.org/10.1039/d5cp01252j | DOI Listing |
J Appl Clin Med Phys
September 2025
Clinical Imaging Physics Group, Duke University Health System, Durham, North Carolina, USA.
Introduction: Medical physicists play a critical role in ensuring image quality and patient safety, but their routine evaluations are limited in scope and frequency compared to the breadth of clinical imaging practices. An electronic radiologist feedback system can augment medical physics oversight for quality improvement. This work presents a novel quality feedback system integrated into the Epic electronic medical record (EMR) at a university hospital system, designed to facilitate feedback from radiologists to medical physicists and technologist leaders.
View Article and Find Full Text PDFGenome Biol
September 2025
Department of Clinical Pharmacy, Alfred E. Mann School of Pharmacy and Pharmaceutical Sciences, University of Southern California, Los Angeles, CA, 90089, USA.
Background: Recent advances in high-throughput sequencing technologies have enabled the collection and sharing of a massive amount of omics data, along with its associated metadata-descriptive information that contextualizes the data, including phenotypic traits and experimental design. Enhancing metadata availability is critical to ensure data reusability and reproducibility and to facilitate novel biomedical discoveries through effective data reuse. Yet, incomplete metadata accompanying public omics data may hinder reproducibility and reusability and limit secondary analyses.
View Article and Find Full Text PDFBMC Ecol Evol
September 2025
Lehrstuhl für Zoologie, TUM School of Life Sciences, Technical University of Munich, Liesel-Beckmann Strasse 4, Freising, 85354, Germany.
Accurate three-dimensional localisation of ultrasonic bat calls is essential for advancing behavioural and ecological research. I present a comprehensive, open-source simulation framework-Array WAH-for designing, evaluating, and optimising microphone arrays tailored to bioacoustic tracking. The tool incorporates biologically realistic signal generation, frequency-dependent propagation, and advanced Time Difference of Arrival (TDoA) localisation algorithms, enabling precise quantification of both positional and angular accuracy.
View Article and Find Full Text PDFAnn Biomed Eng
September 2025
Department of Mechanical Engineering, Koc University, Rumeli Feneri Campus, Sarıyer, 34450, Istanbul, Turkey.
Purpose: The design and development of ventricular assist devices have heavily relied on computational tools, particularly computational fluid dynamics (CFD), since the early 2000s. However, traditional CFD-based optimization requires costly trial-and-error approaches involving multiple design cycles. This study aims to propose a more efficient VAD design and optimization framework that overcomes these limitations.
View Article and Find Full Text PDFNat Comput Sci
September 2025
Department of Chemical Engineering, Tsinghua University, Beijing, China.
With approximately 90% of industrial reactions occurring on surfaces, the role of heterogeneous catalysts is paramount. Currently, accurate surface exposure prediction is vital for heterogeneous catalyst design, but it is hindered by the high costs of experimental and computational methods. Here we introduce a foundation force-field-based model for predicting surface exposure and synthesizability (SurFF) across intermetallic crystals, which are essential materials for heterogeneous catalysts.
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